Chem Methyl Ethyl Ketone 2ketanchem | Cheminformatics
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2D Structure

methyl ethyl ketone


  • SKU Code: CH137440
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Chemical Name - methyl ethyl ketone
Mol Weight - 72.1065
Smiles - CCC(C)=O
Property Name Property Value
Mol Namemethyl ethyl ketone
Molweight72.1065
Monoisotopic Mass72.057515
Clogp0.833
Clogs-1.176
H Acceptors1
Total Surface Area69.53
Relative Psa0.18754
Polar Surface Area17.07
Druglikeness-1.6461
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.8
Molecular Flexibility0.6217
Molecular Complexity0.54931
Fragments1
Non H Atoms5
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Sp3 Atoms3
SmilesCCC(C)=O
InChIKeyInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
InChIZWEHNKRNPOVVGH-UHFFFAOYSA-N

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